Submission Details
Molecule(s):
O=C(CCl)N1CCN(C(CCc2ccccc2)c2cccc(Cl)c2)CC1
O=C(CCl)N1CCN(C(CCc2ccc(C(F)(F)F)cc2)c2cccc(Cl)c2)CC1
Cc1ccc(CCC(c2cccc(Cl)c2)N2CCN(C(=O)CCl)CC2)cc1
N#Cc1cccc(C(CCc2ccccc2)N2CCN(C(=O)CCl)CC2)c1
N#Cc1cccc(C(CCc2ccc(C(F)(F)F)cc2)N2CCN(C(=O)CCl)CC2)c1
Cc1ccc(CCC(c2cccc(C#N)c2)N2CCN(C(=O)CCl)CC2)cc1
CC(=O)NCCc1c[nH]c2c(C(CCc3ccccc3)N3CCN(C(=O)CCl)CC3)cccc12
CC(=O)NCCc1c[nH]c2c(C(CCc3ccc(C)cc3)N3CCN(C(=O)CCl)CC3)cccc12
CC(=O)NCCc1c[nH]c2c(C(CCc3ccc(C(F)(F)F)cc3)N3CCN(C(=O)CCl)CC3)cccc12
Design Rationale:
Starting from PAT-UNK-b2d, there appears to be an area which likes lipophilic ends (x1385, x1380). Attaching an 2-phenylethyl residue to the N-methylene could target this area (Ph ring overlaps with piperidine amide of x1380). Conservative lipophilic derivatives also added (p-Me, p-CF3).
Other Notes:
New stereogenic centre. Make racemate first. Synthesis: Attach piperazine by reductive amination. Ketone for reductive amination accessed by conjugate addition to arylvinyl ketone.